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Compile Data Set for Download or QSAR

Found 46 hits from Centre de Neurochimie du CNRS   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma hydroxybutyric, GHB


(RAT)
BDBM50023573
PNG
(4-Cyclohexyl-4-hydroxy-but-2-enoic acid | CHEMBL17...)
Show SMILES OC(\C=C\C(O)=O)C1CCCCC1
Show InChI InChI=1S/C10H16O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h6-9,11H,1-5H2,(H,12,13)/b7-6+
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n/an/a 3.30n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]-GHB binding site


J Med Chem 31: 893-7 (1988)


Article DOI: 10.1021/jm00400a001
BindingDB Entry DOI: 10.7270/Q2JM28NC
More data for this
Ligand-Target Pair
Gamma hydroxybutyric, GHB


(RAT)
BDBM50023572
PNG
(CHEMBL354804 | Sodium; 4-hydroxy-but-2-enoate)
Show SMILES OC\C=C\C([O-])=O
Show InChI InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/p-1/b2-1+
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n/an/a 3.5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]-GHB binding site


J Med Chem 31: 893-7 (1988)


Article DOI: 10.1021/jm00400a001
BindingDB Entry DOI: 10.7270/Q2JM28NC
More data for this
Ligand-Target Pair
Gamma hydroxybutyric, GHB


(RAT)
BDBM50023574
PNG
(4-Hydroxy-pent-2-enoic acid | CHEMBL171595)
Show SMILES CC(O)\C=C\C(O)=O
Show InChI InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-4,6H,1H3,(H,7,8)/b3-2+
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n/an/a 11n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]-GHB binding site


J Med Chem 31: 893-7 (1988)


Article DOI: 10.1021/jm00400a001
BindingDB Entry DOI: 10.7270/Q2JM28NC
More data for this
Ligand-Target Pair
GABA receptor alpha-1 subunit


(Mus musculus)
BDBM50001561
PNG
(5-(6-Imino-3-thiophen-3-yl-6H-pyridazin-1-ylmethyl...)
Show SMILES N=c1ccc(nn1Cc1cc(=O)[nH]o1)-c1ccsc1
Show InChI InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)
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n/an/a 88n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Affinity for gamma-aminobutyric-acid A receptor measured by its ability to displace [3H]gabazine antagonist from rat brain preparations.


J Med Chem 35: 4092-7 (1992)


Article DOI: 10.1021/jm00100a015
BindingDB Entry DOI: 10.7270/Q25X29J4
More data for this
Ligand-Target Pair
GABA receptor alpha-1 subunit


(Mus musculus)
BDBM50001562
PNG
(5-(6-Imino-3-phenyl-6H-pyridazin-1-ylmethyl)-isoxa...)
Show SMILES N=c1ccc(nn1Cc1cc(=O)[nH]o1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)
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n/an/a 240n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Affinity for gamma-aminobutyric-acid A receptor measured by its ability to displace [3H]gabazine antagonist from rat brain preparations.


J Med Chem 35: 4092-7 (1992)


Article DOI: 10.1021/jm00100a015
BindingDB Entry DOI: 10.7270/Q25X29J4
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM24182
PNG
(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
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n/an/a 420n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA receptor alpha-1 subunit


(Mus musculus)
BDBM50001556
PNG
(4-(6-Imino-5-methyl-3-phenyl-6H-pyridazin-1-yl)-bu...)
Show SMILES Cc1cc(nn(CCCC(O)=O)c1=N)-c1ccccc1
Show InChI InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)
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n/an/a 800n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Affinity for gamma-aminobutyric-acid A receptor measured by its ability to displace [3H]gabazine antagonist from rat brain preparations.


J Med Chem 35: 4092-7 (1992)


Article DOI: 10.1021/jm00100a015
BindingDB Entry DOI: 10.7270/Q25X29J4
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017103
PNG
(9,10-Dimethoxy-3-methyl-2-(2,4,6-trimethyl-phenyli...)
Show SMILES COc1cc2CCn3c(c\c(=N/c4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC
Show InChI InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3/b25-22+
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n/an/a 5.00E+3n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Gamma hydroxybutyric, GHB


(RAT)
BDBM50023575
PNG
(4-hydroxy-butyric acid | 4-hydroxybutanoic acid | ...)
Show SMILES OCCCC(O)=O
Show InChI InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]-GHB binding site


J Med Chem 31: 893-7 (1988)


Article DOI: 10.1021/jm00400a001
BindingDB Entry DOI: 10.7270/Q2JM28NC
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009131
PNG
(4-Amino-3-(2,4-dichloro-phenyl)-butyric acid; hydr...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C10H11Cl2NO2/c11-7-1-2-8(9(12)4-7)6(5-13)3-10(14)15/h1-2,4,6H,3,5,13H2,(H,14,15)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009135
PNG
((1-Aminomethyl-5-chloro-indan-1-yl)-acetic acid; h...)
Show SMILES NCC1(CC(O)=O)CCc2cc(Cl)ccc12
Show InChI InChI=1S/C12H14ClNO2/c13-9-1-2-10-8(5-9)3-4-12(10,7-14)6-11(15)16/h1-2,5H,3-4,6-7,14H2,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009133
PNG
(4-Amino-3-(2,6-dichloro-phenyl)-butyric acid; hydr...)
Show SMILES NCC(CC(O)=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C10H11Cl2NO2/c11-7-2-1-3-8(12)10(7)6(5-13)4-9(14)15/h1-3,6H,4-5,13H2,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009136
PNG
((7-Aminomethyl-bicyclo[4.2.0]octa-1(6),2,4-trien-7...)
Show SMILES NCC1(CC(O)=O)Cc2ccccc12
Show InChI InChI=1S/C11H13NO2/c12-7-11(6-10(13)14)5-8-3-1-2-4-9(8)11/h1-4H,5-7,12H2,(H,13,14)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009132
PNG
((1-Aminomethyl-1,2,3,4-tetrahydro-naphthalen-1-yl)...)
Show SMILES NCC1(CC(O)=O)CCCc2ccccc12
Show InChI InChI=1S/C13H17NO2/c14-9-13(8-12(15)16)7-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,7-9,14H2,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50009134
PNG
((1-Aminomethyl-indan-1-yl)-acetic acid; hydrochlor...)
Show SMILES NCC1(CC(O)=O)CCc2ccccc12
Show InChI InChI=1S/C12H15NO2/c13-8-12(7-11(14)15)6-5-9-3-1-2-4-10(9)12/h1-4H,5-8,13H2,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017096
PNG
(4-(3-Benzyloxy-4-methoxy-phenyl)-pyrrolidin-2-one ...)
Show SMILES COc1ccc(cc1OCc1ccccc1)C1CNC(=O)C1
Show InChI InChI=1S/C18H19NO3/c1-21-16-8-7-14(15-10-18(20)19-11-15)9-17(16)22-12-13-5-3-2-4-6-13/h2-9,15H,10-12H2,1H3,(H,19,20)
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n/an/a 1.74E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017094
PNG
(4-(3-Butoxy-4-methoxy-phenyl)-pyrrolidine-2-thione...)
Show SMILES CCCCOc1cc(ccc1OC)C1CNC(=S)C1
Show InChI InChI=1S/C15H21NO2S/c1-3-4-7-18-14-8-11(5-6-13(14)17-2)12-9-15(19)16-10-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,16,19)
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n/an/a 1.95E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017115
PNG
(4-[4-Methoxy-3-(2-methyl-butoxy)-phenyl]-pyrrolidi...)
Show SMILES CCC(C)COc1cc(ccc1OC)C1CNC(=O)C1
Show InChI InChI=1S/C16H23NO3/c1-4-11(2)10-20-15-7-12(5-6-14(15)19-3)13-8-16(18)17-9-13/h5-7,11,13H,4,8-10H2,1-3H3,(H,17,18)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a 2.46E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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n/an/a 3.80E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017120
PNG
(CHEMBL284512 | N-Cyclohexyl-4-[2-methoxy-5-(5-oxo-...)
Show SMILES COc1ccc(cc1OCCCC(=O)N(C)C1CCCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C22H32N2O4/c1-24(18-7-4-3-5-8-18)22(26)9-6-12-28-20-13-16(10-11-19(20)27-2)17-14-21(25)23-15-17/h10-11,13,17-18H,3-9,12,14-15H2,1-2H3,(H,23,25)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017108
PNG
(4-(3,4-Dimethoxy-phenyl)-2-oxo-pyrrolidine-3-carbo...)
Show SMILES CCOC(=O)C1C(CNC1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C15H19NO5/c1-4-21-15(18)13-10(8-16-14(13)17)9-5-6-11(19-2)12(7-9)20-3/h5-7,10,13H,4,8H2,1-3H3,(H,16,17)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE;Compound is insignificant.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017109
PNG
(CHEMBL36290 | N-Butyl-4-[2-methoxy-5-(5-oxo-pyrrol...)
Show SMILES CCCCNC(=O)CCCOc1cc(ccc1OC)C1CNC(=O)C1
Show InChI InChI=1S/C19H28N2O4/c1-3-4-9-20-18(22)6-5-10-25-17-11-14(7-8-16(17)24-2)15-12-19(23)21-13-15/h7-8,11,15H,3-6,9-10,12-13H2,1-2H3,(H,20,22)(H,21,23)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017098
PNG
(3-(3,4-Dimethoxy-phenyl)-pyrrolidine; compound wit...)
Show SMILES COc1ccc(cc1OC)C1CCNC1
Show InChI InChI=1S/C12H17NO2/c1-14-11-4-3-9(7-12(11)15-2)10-5-6-13-8-10/h3-4,7,10,13H,5-6,8H2,1-2H3
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE;Compound is insignificant.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017104
PNG
(7,8-Dimethoxy-1,2,3a,4,5,9b-hexahydro-benzo[e]isoi...)
Show SMILES COc1cc2CC[C@@H]3[C@@H](CNC3=O)c2cc1OC
Show InChI InChI=1S/C14H17NO3/c1-17-12-5-8-3-4-9-11(7-15-14(9)16)10(8)6-13(12)18-2/h5-6,9,11H,3-4,7H2,1-2H3,(H,15,16)/t9-,11-/m1/s1
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE;Compound is insignificant.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017117
PNG
(4-[2-Methoxy-5-(5-oxo-pyrrolidin-3-yl)-phenoxy]-bu...)
Show SMILES CCOC(=O)CCCOc1cc(ccc1OC)C1CNC(=O)C1
Show InChI InChI=1S/C17H23NO5/c1-3-22-17(20)5-4-8-23-15-9-12(6-7-14(15)21-2)13-10-16(19)18-11-13/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,18,19)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017102
PNG
(4-(3-Butoxy-4-methoxy-phenyl)-pyrrolidin-2-one | C...)
Show SMILES CCCCOc1cc(ccc1OC)C1CNC(=O)C1
Show InChI InChI=1S/C15H21NO3/c1-3-4-7-19-14-8-11(5-6-13(14)18-2)12-9-15(17)16-10-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,16,17)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017107
PNG
(1-Benzyl-4-(3,4-dimethoxy-phenyl)-pyrrolidin-2-one...)
Show SMILES COc1ccc(cc1OC)C1CN(Cc2ccccc2)C(=O)C1
Show InChI InChI=1S/C19H21NO3/c1-22-17-9-8-15(10-18(17)23-2)16-11-19(21)20(13-16)12-14-6-4-3-5-7-14/h3-10,16H,11-13H2,1-2H3
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE;Compound is insignificant.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017112
PNG
(1-Acetyl-4-(3,4-dimethoxy-phenyl)-pyrrolidin-2-one...)
Show SMILES COc1ccc(cc1OC)C1CN(C(C)=O)C(=O)C1
Show InChI InChI=1S/C14H17NO4/c1-9(16)15-8-11(7-14(15)17)10-4-5-12(18-2)13(6-10)19-3/h4-6,11H,7-8H2,1-3H3
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017113
PNG
(4-(3,4-Dimethoxy-phenyl)-1-phenyl-pyrrolidin-2-one...)
Show SMILES COc1ccc(cc1OC)C1CN(C(=O)C1)c1ccccc1
Show InChI InChI=1S/C18H19NO3/c1-21-16-9-8-13(10-17(16)22-2)14-11-18(20)19(12-14)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP (insignificant)


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017119
PNG
(4-(3-Hydroxy-4-methoxy-phenyl)-pyrrolidin-2-one | ...)
Show SMILES COc1ccc(cc1O)C1CNC(=O)C1
Show InChI InChI=1S/C11H13NO3/c1-15-10-3-2-7(4-9(10)13)8-5-11(14)12-6-8/h2-4,8,13H,5-6H2,1H3,(H,12,14)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017114
PNG
(4-[4-Methoxy-3-(2-methyl-allyloxy)-phenyl]-pyrroli...)
Show SMILES COc1ccc(cc1OCC(C)=C)C1CNC(=O)C1
Show InChI InChI=1S/C15H19NO3/c1-10(2)9-19-14-6-11(4-5-13(14)18-3)12-7-15(17)16-8-12/h4-6,12H,1,7-9H2,2-3H3,(H,16,17)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017100
PNG
(4-(3-Butoxy-phenyl)-pyrrolidin-2-one | CHEMBL32226)
Show SMILES CCCCOc1cccc(c1)C1CNC(=O)C1
Show InChI InChI=1S/C14H19NO2/c1-2-3-7-17-13-6-4-5-11(8-13)12-9-14(16)15-10-12/h4-6,8,12H,2-3,7,9-10H2,1H3,(H,15,16)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017121
PNG
(4-(4-Butoxy-phenyl)-pyrrolidin-2-one | CHEMBL32597)
Show SMILES CCCCOc1ccc(cc1)C1CNC(=O)C1
Show InChI InChI=1S/C14H19NO2/c1-2-3-8-17-13-6-4-11(5-7-13)12-9-14(16)15-10-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE;Compound is insignificant.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017093
PNG
(4-(3,4-Dimethoxy-phenyl)-3-methyl-pyrrolidin-2-one...)
Show SMILES COc1ccc(cc1OC)C1CNC(=O)C1C
Show InChI InChI=1S/C13H17NO3/c1-8-10(7-14-13(8)15)9-4-5-11(16-2)12(6-9)17-3/h4-6,8,10H,7H2,1-3H3,(H,14,15)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017105
PNG
(4-(3,4-Dimethoxy-phenyl)-2-oxo-pyrrolidine-3-carbo...)
Show SMILES COc1ccc(cc1OC)C1CNC(=O)C1C(O)=O
Show InChI InChI=1S/C13H15NO5/c1-18-9-4-3-7(5-10(9)19-2)8-6-14-12(15)11(8)13(16)17/h3-5,8,11H,6H2,1-2H3,(H,14,15)(H,16,17)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE;Compound is insignificant.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017118
PNG
(4-(3-Allyloxy-4-methoxy-phenyl)-pyrrolidin-2-one |...)
Show SMILES COc1ccc(cc1OCC=C)C1CNC(=O)C1
Show InChI InChI=1S/C14H17NO3/c1-3-6-18-13-7-10(4-5-12(13)17-2)11-8-14(16)15-9-11/h3-5,7,11H,1,6,8-9H2,2H3,(H,15,16)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017116
PNG
(5,6-Dimethoxy-3,3a,8,8a-tetrahydro-1H-1-aza-cyclop...)
Show SMILES COc1cc2CC3NC(=O)C[C@@H]3c2cc1OC
Show InChI InChI=1S/C13H15NO3/c1-16-11-4-7-3-10-9(6-13(15)14-10)8(7)5-12(11)17-2/h4-5,9-10H,3,6H2,1-2H3,(H,14,15)/t9-,10?/m1/s1
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE;Compound is insignificant.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017092
PNG
(4-(3-Isobutoxy-4-methoxy-phenyl)-pyrrolidin-2-one ...)
Show SMILES COc1ccc(cc1OCC(C)C)C1CNC(=O)C1
Show InChI InChI=1S/C15H21NO3/c1-10(2)9-19-14-6-11(4-5-13(14)18-3)12-7-15(17)16-8-12/h4-6,10,12H,7-9H2,1-3H3,(H,16,17)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017101
PNG
(7,8-Dimethoxy-1,2,3a,4,5,9b-hexahydro-benzo[e]isoi...)
Show SMILES COc1cc2CC[C@H]3[C@@H](CNC3=O)c2cc1OC
Show InChI InChI=1S/C14H17NO3/c1-17-12-5-8-3-4-9-11(7-15-14(9)16)10(8)6-13(12)18-2/h5-6,9,11H,3-4,7H2,1-2H3,(H,15,16)/t9-,11+/m0/s1
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP (insignificant)


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017111
PNG
(4-(3,4-Dimethoxy-phenyl)-1-methyl-pyrrolidin-2-one...)
Show SMILES COc1ccc(cc1OC)C1CN(C)C(=O)C1
Show InChI InChI=1S/C13H17NO3/c1-14-8-10(7-13(14)15)9-4-5-11(16-2)12(6-9)17-3/h4-6,10H,7-8H2,1-3H3
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE;Compound is insignificant.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017110
PNG
(4-(4-Butoxy-3-methoxy-phenyl)-pyrrolidin-2-one | C...)
Show SMILES CCCCOc1ccc(cc1OC)C1CNC(=O)C1
Show InChI InChI=1S/C15H21NO3/c1-3-4-7-19-13-6-5-11(8-14(13)18-2)12-9-15(17)16-10-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,16,17)
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Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017097
PNG
(1-Benzoyl-4-(3,4-dimethoxy-phenyl)-pyrrolidin-2-on...)
Show SMILES COc1ccc(cc1OC)C1CN(C(=O)c2ccccc2)C(=O)C1
Show InChI InChI=1S/C19H19NO4/c1-23-16-9-8-14(10-17(16)24-2)15-11-18(21)20(12-15)19(22)13-6-4-3-5-7-13/h3-10,15H,11-12H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP (insignificant)


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017106
PNG
(4-Phenyl-pyrrolidin-2-one | CHEMBL286419)
Show SMILES O=C1CC(CN1)c1ccccc1
Show InChI InChI=1S/C10H11NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017099
PNG
(4-(3,4-Dimethoxy-phenyl)-pyrrolidin-2-one | CHEMBL...)
Show SMILES COc1ccc(cc1OC)C1CNC(=O)C1
Show InChI InChI=1S/C12H15NO3/c1-15-10-4-3-8(5-11(10)16-2)9-6-12(14)13-7-9/h3-5,9H,6-7H2,1-2H3,(H,13,14)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50017095
PNG
(4-[2-Methoxy-5-(5-oxo-pyrrolidin-3-yl)-phenoxy]-bu...)
Show SMILES COc1ccc(cc1OCCCC(O)=O)C1CNC(=O)C1
Show InChI InChI=1S/C15H19NO5/c1-20-12-5-4-10(11-8-14(17)16-9-11)7-13(12)21-6-2-3-15(18)19/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,17)(H,18,19)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)


Article DOI: 10.1021/jm00127a009
BindingDB Entry DOI: 10.7270/Q2DN441H
More data for this
Ligand-Target Pair